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CHEBI:157573 - CID 146017720

Default Structure
ChEBI IDCHEBI:157573
ChEBI NameCID 146017720
Stars
SubmitterGareth Owen
DownloadsMolfile
FormulaC129H211N9O94
Net Charge0
Average Mass3392.076
Monoisotopic Mass3390.20072
SMILESCC(=O)N[C@@H]1[C@@H](O)[C@H](O[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO[C@H]4O[C@H](CO[C@@H]5O[C@H](CO)[C@@H](O[C@@H]6O[C@H](CO)[C@H](O)[C@H](O)[C@H]6O)[C@H](O)[C@H]5NC(C)=O)[C@@H](O)[C@H](O)[C@@H]4O[C@@H]4O[C@H](CO)[C@@H](O[C@@H]5O[C@H](CO[C@]6(C(=O)O)C[C@H](O)[C@@H](NC(C)=O)[C@H]([C@H](O)[C@H](O)CO)O6)[C@H](O)[C@H](O)[C@H]5O)[C@H](O)[C@H]4NC(C)=O)[C@@H](O)[C@H](O[C@H]4O[C@H](CO)[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O[C@@H]6O[C@H](CO[C@]7(C(=O)O)C[C@H](O)[C@@H](NC(C)=O)[C@H]([C@H](O)[C@H](O)CO)O7)[C@H](O)[C@H](O)[C@H]6O)[C@H](O)[C@H]5NC(C)=O)[C@H](O)[C@@H]4O[C@@H]4O[C@H](CO)[C@@H](O[C@@H]5O[C@H](CO[C@]6(C(=O)O)C[C@H](O)[C@@H](NC(C)=O)[C@H]([C@H](O)[C@H](O)CO)O6)[C@H](O)[C@H](O)[C@H]5O)[C@H](O)[C@H]4NC(C)=O)[C@@H]3O)[C@H](O)[C@H]2NC(C)=O)[C@@H](CO[C@@H]2O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]2O)O[C@H]1O
WURCSWURCS=2.0/6,17,16/[a2122h-1b_1-5_2*NCC/3=O][a1122h-1b_1-5][a1122h-1a_1-5][a2112h-1b_1-5][Aad21122h-2a_2-6_5*NCC/3=O][a1221m-1a_1-5]/1-1-2-3-1-4-5-1-4-5-3-1-4-5-1-4-6/a4-b1_a6-q1_b4-c1_c3-d1_c6-k1_d2-e1_d4-h1_e4-f1_f6-g2_h4-i1_i6-j2_k2-l1_k6-o1_l4-m1_m6-n2_o4-p1
InChIInChI=1S/C129H211N9O94/c1-30-68(164)84(180)90(186)116(206-30)201-26-58-103(78(174)62(110(193)207-58)133-34(5)152)221-113-65(136-37(8)155)81(177)101(51(22-147)211-113)226-121-96(192)107(77(173)54(215-121)25-202-122-108(89(185)76(172)53(219-122)24-200-111-63(134-35(6)153)79(175)97(47(18-143)209-111)222-117-91(187)85(181)72(168)46(17-142)208-117)228-114-66(137-38(9)156)82(178)99(49(20-145)212-114)224-119-93(189)87(183)74(170)56(217-119)28-204-128(125(196)197)12-41(159)60(131-32(3)150)105(231-128)70(166)44(162)15-140)227-123-109(229-115-67(138-39(10)157)83(179)100(50(21-146)213-115)225-120-94(190)88(184)75(171)57(218-120)29-205-129(126(198)199)13-42(160)61(132-33(4)151)106(232-129)71(167)45(163)16-141)95(191)102(52(23-148)214-123)220-112-64(135-36(7)154)80(176)98(48(19-144)210-112)223-118-92(188)86(182)73(169)55(216-118)27-203-127(124(194)195)11-40(158)59(130-31(2)149)104(230-127)69(165)43(161)14-139/h30,40-123,139-148,158-193H,11-29H2,1-10H3,(H,130,149)(H,131,150)(H,132,151)(H,133,152)(H,134,153)(H,135,154)(H,136,155)(H,137,156)(H,138,157)(H,194,195)(H,196,197)(H,198,199)/t30-,40-,41-,42-,43+,44+,45+,46+,47+,48+,49+,50+,51+,52+,53+,54+,55+,56+,57+,58+,59+,60+,61+,62+,63+,64+,65+,66+,67+,68+,69+,70+,71+,72-,73-,74-,75-,76+,77+,78+,79+,80+,81+,82+,83+,84+,85-,86-,87-,88-,89-,90-,91+,92+,93+,94+,95-,96-,97+,98+,99+,100+,101+,102+,103+,104+,105+,106+,107-,108-,109-,110+,111+,112-,113-,114-,115-,116+,117-,118-,119-,120-,121-,122-,123+,127+,128+,129+/m0/s1
InChIKeyGSYJNDBRQCXYMS-NLOMSVEHSA-N
ChEBI Ontology
Outgoing Relation(s)
CID 146017720 (CHEBI:157573) is a carbohydrates and carbohydrate derivatives (CHEBI:78616)
Synonyms  Source
5-acetamido-3,5-dideoxy-D-glycero-alpha-D-galacto-non-2-ulopyranosylonic acid-(2->6)-beta-D-galacto-hexopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1->2)-[5-acetamido-3,5-dideoxy-D-glycero-alpha-D-galacto-non-2-ulopyranosylonic acid-(2->6)-beta-D-galacto-hexopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1->4)]-alpha-D-manno-hexopyranosyl-(1->3)-[5-acetamido-3,5-dideoxy-D-glycero-alpha-D-galacto-non-2-ulopyranosylonic acid-(2->6)-beta-D-galacto-hexopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1->2)-[beta-D-galacto-hexopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1->6)]-alpha-D-manno-hexopyranosyl-(1->6)]-beta-D-manno-hexopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1->4)-[6-deoxy-alpha-L-galacto-hexopyranosyl-(1->6)]-2-acetamido-2-deoxy-beta-D-gluco-hexopyranoseSUBMITTER
NeuAc(a2-6)Gal(b1-4)GlcNAc(b1-2)[NeuAc(a2-6)Gal(b1-4)GlcNAc(b1-4)]Man(a1-3)[NeuAc(a2-6)Gal(b1-4)GlcNAc(b1-2)[Gal(b1-4)GlcNAc(b1-6)]Man(a1-6)]Man(b1-4)GlcNAc(b1-4)[Fuc(a1-6)]b-GlcNAcSUBMITTER
Manual XrefsDatabases
G28106CMGlyTouCan
G28106CMGlyGen